Benzene, 1,3-dimethoxy-4-propyl
TL;DR: Benzene, 1,3-dimethoxy-4-propyl (CAS 36680-47-4) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethoxy-1-propylbenzene
Also Known As: 2,4-dimethoxy-1-propylbenzene, Benzene, 1,3-dimethoxy-4-propyl, Benzene, 2,4-dimethoxy-1-propyl-, 1,3-Dimethoxy-4-propylbenzene, 1-Propyl-2,4-dimethoxybenzene
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 36680-47-4 |
|---|---|
| SMILES | CCCC1=C(C=C(C=C1)OC)OC |
| InChIKey | NYXSVTHOEZXHHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,3-dimethoxy-4-propyl (CAS 36680-47-4), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 2,4-dimethoxy-1-propylbenzene.
Chemical Property Profile of Benzene, 1,3-dimethoxy-4-propyl
Property Insights of Benzene, 1,3-dimethoxy-4-propyl
The XLogP value of 3.3 indicates that Benzene, 1,3-dimethoxy-4-propyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Benzene, 1,3-dimethoxy-4-propyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-dimethoxy-4-propyl has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1,3-dimethoxy-4-propyl?
The CAS number of Benzene, 1,3-dimethoxy-4-propyl is 36680-47-4.
What is the molecular formula of Benzene, 1,3-dimethoxy-4-propyl?
The molecular formula of Benzene, 1,3-dimethoxy-4-propyl is C11H16O2.
What is the molecular weight of Benzene, 1,3-dimethoxy-4-propyl?
The molecular weight of Benzene, 1,3-dimethoxy-4-propyl is 180.12 g/mol.
Where can I buy Benzene, 1,3-dimethoxy-4-propyl?
You can request a quote for Benzene, 1,3-dimethoxy-4-propyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-dimethoxy-4-propyl?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-dimethoxy-4-propyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.